{"id":"W2982274044","doi":"10.1021/acs.orglett.9b03380","title":"High-Throughput Discovery and Evaluation of a General Catalytic Method for <i>N</i> -Arylation of Weakly Nucleophilic Sulfonamides","year":2019,"lang":"en","type":"article","venue":"Organic Letters","topic":"Sulfur-Based Synthesis Techniques","field":"Chemistry","cited_by":32,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Division of Chemistry; Pennsylvania Department of Health","keywords":"Steric effects; Chemistry; Catalysis; Nucleophile; Sulfonamide; Combinatorial chemistry; Computational chemistry; Throughput; Parametrization (atmospheric modeling); Stereochemistry; Organic chemistry; Computer science","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005526296,0.000544974,0.0004410769,0.0002041142,0.0001891398,0.0005383983,0.0005575,0.0003619244,0.001082127],"category_scores_gemma":[0.0003638411,0.00019315,0.0003160383,0.0002040809,0.0003102057,0.0002902079,0.0003359525,0.0004635798,0.0005042809],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004815185,"about_ca_system_score_gemma":0.0002758032,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007064621,"about_ca_topic_score_gemma":0.001503668,"domain_scores_codex":[0.9997713,0.00004280968,0.00001219622,0.0000487679,0.00008564031,0.00003933048],"domain_scores_gemma":[0.9999104,0.00002030674,0.00002139519,0.00001536058,0.00001558291,0.00001705179],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001338021,0.0001363707,0.0003197701,0.0001558946,0.00003133895,0.00008985258,0.00004423388,0.002691412,0.9859027,0.0008915194,0.000252449,0.009350771],"study_design_scores_gemma":[0.00001836363,0.0003989123,0.0004625536,0.000003615316,0.00001809448,0.00008532117,0.00001412786,0.005449545,0.9912263,0.00007896174,0.002234423,0.000009863315],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9503241,0.001157048,0.04181597,0.0001516003,0.00002666445,0.0001977955,0.0008605586,0.0004506298,0.005015711],"genre_scores_gemma":[0.9720289,0.001231712,0.02419906,0.00002756929,0.000009897299,0.00007357795,0.0006748136,0.00005936171,0.001695209],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001082127,"threshold_uncertainty_score":0.003620088,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01373016406029295,"score_gpt":0.2685115766793801,"score_spread":0.2547814126190872,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}